4-(1,3-benzodioxol-5-yloxymethyl)-N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[4-bromo-1-(p-tolylmethyl)pyrazol-3-yl]thiophene-2-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[4-bromo-1-[(4-methylphenyl)methyl]-3-pyrazolyl]-2-thiophenecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[4-bromo-1-(4-methylbenzyl)pyrazol-3-yl]thiophene-2-carboxamide Formula: C24H20BrN3O4S MolecularWeight: 526.4023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)C3=CC(=CS3)COC4=CC5=C(C=C4)OCO5)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)C3=CC(=CS3)COC4=CC5=C(C=C4)OCO5)Br

InChI

InChI=1S/C24H20BrN3O4S/c1-15-2-4-16(5-3-15)10-28-11-19(25)23(27-28)26-24(29)22-8-17(13-33-22)12-30-18-6-7-20-21(9-18)32-14-31-20/h2-9,11,13H,10,12,14H2,1H3,(H,26,27,29)